N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C39H25N5O — CID 164740317

IUPACN,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc7nn(-c8ccccc8)nc7c6)cc5c4c3o2)cc1
InChIInChI=1S/C39H25N5O/c1-4-10-28(11-5-1)39-40-35-22-19-27-17-16-26-18-20-31(24-33(26)37(27)38(35)45-39)43(29-12-6-2-7-13-29)32-21-23-34-36(25-32)42-44(41-34)30-14-8-3-9-15-30/h1-25H
InChIKeyGGCMKUUEFXHKOR-UHFFFAOYSA-N
MW579.66 g/mol
LogP10.00
Rot. Bonds5

About N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 164740317) has the molecular formula C39H25N5O and a molecular weight of 579.66 g/mol. Its IUPAC name is N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID164740317
Molecular FormulaC39H25N5O
Molecular Weight579.66 g/mol
Exact Mass579.21
IUPAC NameN,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc7nn(-c8ccccc8)nc7c6)cc5c4c3o2)cc1
InChIInChI=1S/C39H25N5O/c1-4-10-28(11-5-1)39-40-35-22-19-27-17-16-26-18-20-31(24-33(26)37(27)38(35)45-39)43(29-12-6-2-7-13-29)32-21-23-34-36(25-32)42-44(41-34)30-14-8-3-9-15-30/h1-25H
InChIKeyGGCMKUUEFXHKOR-UHFFFAOYSA-N
XLogP10.00
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3,5-triamine
CID 171417112
3-N-naphthalen-2-yl-1-N,1-N-diphenyl-3-N-[3-(N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)anilino)phenyl]benzene-1,3-diamine
CID 171417102
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
7-N,7-N-diphenyl-2-N-[3-(N-phenylanilino)phenyl]-2-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)dibenzothiophene-2,7-diamine
CID 171417030
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-yl)benzene-1,3-diamine
CID 171416971
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473862

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 164740317) is N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc7nn(-c8ccccc8)nc7c6)cc5c4c3o2)cc1.
What is the InChIKey of N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is GGCMKUUEFXHKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5O/c1-4-10-28(11-5-1)39-40-35-22-19-27-17-16-26-18-20-31(24-33(26)37(27)38(35)45-39)43(29-12-6-2-7-13-29)32-21-23-34-36(25-32)42-44(41-34)30-14-8-3-9-15-30/h1-25H.
What are the key properties of N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 579.66 g/mol, XLogP of 10.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 164740317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).